SCHEMBL8975870

SCHEMBL8975870

CCCCCCCCCCC(CCCCCCCCCC)NC(=N)c1ccc2c3ccc(C(N)=O)c4c(C(N)=O)ccc(c5ccc(C(=O)NC(CCCCCCCCCC)CCCCCCCCCC)c1c25)c43

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 5/20 0.38
▸ TAS1R1 Q7RTX1 5/20 0.38
▸ ALOX5 P09917 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ SPHK1 Q9NYA1 4/20 0.33
▸ S1PR1 P21453 3/20 0.32
▸ S1PR3 Q99500 3/20 0.32
▸ S1PR4 O95977 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8975448 0.87 TAS1R3 (0.37) TAS1R3TAS1R1ALOX5MEN1NR1I2
SCHEMBL8883577 0.84 TAS1R3 (0.36) TAS1R3TAS1R1ALOX5MEN1NR1I2
SCHEMBL8883095 0.83 TAS1R3 (0.35) TAS1R3TAS1R1ALOX5MEN1NR1I2
SCHEMBL1897757 0.82 ALDH1A1 (0.40) TAS1R3TAS1R1TACR3PLA2G2C
SCHEMBL31373087 0.82 ALDH1A1 (0.40) TAS1R3TAS1R1TACR3PLA2G2C
SCHEMBL8885183 0.80 SMN1; SMN2 (0.43) TAS1R3TAS1R1ALOX5MEN1CYP3A4
SCHEMBL3957281 0.76 CHEK1 (0.36) TAS1R3TAS1R1TACR3
SCHEMBL4313304 0.76 TACR3 (0.41) TAS1R3TAS1R1ALOX5KMT2ATACR3
SCHEMBL3623844 0.74 TACR3 (0.37) TAS1R3TAS1R1ALOX5KMT2ATACR3
SCHEMBL4551477 0.72 GLA (0.43) TAS1R3TAS1R1ALOX5MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508137-A REACTING A PERYLENE-3,4:9,10-TETRACARBOXYLIC MONOANHYDRIDE MONOIMIDE WITH A PRIMARY DIAMINE; FLUORESCENT DYE IN CHEMILUMINESCENCE SYSTEMS CIBA-GEIGY CORPORATION (US) 1996-04-16 — — US disclosed
Send feedback